| URL: | https://medba.ddtmlab.org/ |
| Full name: | Metalloenzyme Data Bank and Analysis Platform |
| Description: | The Metalloenzyme Data Bank and Analysis (MeDBA) is an integrated, distinctive, practicable, user-friendly platform and provides metalloenzyme-focused data bank and analysis tools, which will help understand and investigate metalloenzyme-involved contents, and will promote and bridge metalloenzyme-related areas (e.g., biological chemistry, structural and chemical biology, synthetic biology, bioinorganic chemistry, medicinal chemistry, computational chemistry and drug discovery). The current version of MeDBA contains 82,540 metalloenzymes, 440,631 ligands (431,014 bioactive molecules, 2,243 substrates/products, 566 drugs, 6,942 drug candidates, and 1,415 PROTACs), 10,613 metalloenzyme-ligand complexes, 21,616 metal sites, and 844 MBPs. - Data bank. To shed light on metalloenzyme-centric knowledges, MeDBA integrates comprehensive information of metalloenzymes (e.g., related diseases, structures, metal sites), ligands (e.g., bioactive molecules, substrates/products, drugs and drug candidates) and metalloenzyme-ligand associations (e.g., MBP, metalloenzyme-ligand complexes), which are provided for users to freely search, browse, download and analyze. Notably, the elaborately excavated MBPs are available to link different metalloenzymes and help establish new metalloenzyme-ligand associations. - Analysis servers. To conveniently use the metalloenzyme data bank, metalloenzyme-specific analysis servers are provided, including 3D visualization of metalloenzyme structures, structure/metal active site comparison, substructure search for ligands and MBPs, and metalloenzyme profiling. MeDBA is available at https://medba.ddtmlab.org/. |
| Year founded: | 2022 |
| Last update: | 2022/7/15 |
| Version: | V1.02 |
| Accessibility: |
Accessible
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| Country/Region: | China |
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| University/Institution: | Sichuan University |
| Address: | No.24 South Section 1, Yihuan Road |
| City: | Chengdu |
| Province/State: | SiChuan |
| Country/Region: | China |
| Contact name (PI/Team): | Yu JunLin |
| Contact email (PI/Helpdesk): | vicfisher6072@163.com |
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MeDBA: the Metalloenzyme Data Bank and Analysis platform. [PMID: 36243971]
Metalloenzymes are attractive research targets in fields of chemistry, biology, and medicine. Given that metalloenzymes can manifest conservation of metal-coordination and ligand binding modes, the excavation and expansion of metalloenzyme-specific knowledge is of interest in bridging metalloenzyme-related fields. Building on our previous metalloenzyme-ligand association database, MeLAD, we have expanded the scope of metalloenzyme-specific knowledge and services, by forming a versatile platform, termed the Metalloenzyme Data Bank and Analysis (MeDBA). The MeDBA provides: (i) manual curation of metalloenzymes into different categories, that this M-I, M-II and M-III; (ii) comprehensive information on metalloenzyme activities, expression profiles, family and disease links; (iii) structural information on metalloenzymes, in particular metal binding modes; (iv) metalloenzyme substrates and bioactive molecules acting on metalloenzymes; (v) excavated metal-binding pharmacophores and (vi) analysis tools for structure/metal active site comparison and metalloenzyme profiling. The MeDBA is freely available at https://medba.ddtmlab.org. |